6-(azepan-1-yl)-N-(3-bromophenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-(3-bromophenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(3-bromophenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(3-bromophenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(3-bromophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(3-bromophenyl)amine Formula: C16H18BrN5O2 MolecularWeight: 392.25042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H18BrN5O2/c17-12-6-5-7-13(10-12)20-15-14(22(23)24)16(19-11-18-15)21-8-3-1-2-4-9-21/h5-7,10-11H,1-4,8-9H2,(H,18,19,20)